Details of the Drug

General Information of Drug (ID: DM3UMYD)

Drug Name

2-(2-Hydroxy-phenyl)-1H-indole-5-carboxamidine

Synonyms

2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine; amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium; AC1L1BMI; BDBM13942; CTK8A0256; APC-8328; DB02463; [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

252.29

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H14N3O+
IUPAC Name: [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene]azanium
Canonical SMILES: C1=CC=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)C(=[NH2+])N)O
InChI: InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
InChIKey: JPGNPKIYCTXJPG-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 1507
DrugBank ID: DB02463
TTD ID: D08OLP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Inhibitor	[1]
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]
Plasminogen (PLG)	TTP86E2	PLMN_HUMAN	Inhibitor	[1]
Tissue-type plasminogen activator (PLAT)	TTXAGYU	TPA_HUMAN	Inhibitor	[1]
Urokinase-type plasminogen activator (PLAU)	TTGY7WI	UROK_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Development of serine protease inhibitors displaying a multicentered short (<2.3 A) hydrogen bond binding mode: inhibitors of urokinase-type plasmi... J Med Chem. 2001 Aug 16;44(17):2753-71.